2-(4-methylphenyl)sulfonyl-3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 2-(4-methylphenyl)sulfonyl-3-[3-(2-methyl-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-[3-(2-methyl-4-propoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 3-[3-(2-methyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C29H27N3O3S/c1-4-16-35-25-12-15-28(22(3)17-25)29-23(20-32(31-29)24-8-6-5-7-9-24)18-27(19-30)36(33,34)26-13-10-21(2)11-14-26/h5-15,17-18,20H,4,16H2,1-3H3